(5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

C145H155ClF4N24O13S6 — CID 161285943

About (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

(5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 161285943) has the molecular formula C145H155ClF4N24O13S6 and a molecular weight of 2745.84 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
• PubChem CID: 161285943
• Molecular Formula: C145H155ClF4N24O13S6
• Molecular Weight: 2745.84 g/mol
• Exact Mass: 2743.02
• IUPAC Name: (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
• SMILES: Cc1ccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)nc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C5CCCN5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(Cl)c4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cccc(C(F)(F)F)c5n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)CCO5)CC3)n2)S1
• InChI: InChI=1S/C26H24F3N5O2S.C26H31N5O2S.C24H26N4O3S.C23H24ClN3O2S.C23H24FN3O2S.C23H26N4O2S/c27-26(28,29)20-3-1-2-17-4-5-19(32-24(17)20)15-30-14-16-7-10-34(11-8-16)25-31-9-6-18(33-25)12-22-21(35)13-23(36)37-22;32-23-16-25(33)34-24(23)15-21-8-12-28-26(30-21)31-13-9-18(10-14-31)3-1-4-20-7-6-19(17-29-20)22-5-2-11-27-22;29-22-21(32-24(30)27-22)15-19-6-10-25-23(26-19)28-11-7-16(8-12-28)2-1-3-17-4-5-20-18(14-17)9-13-31-20;24-18-6-2-5-17(13-18)4-1-3-16-8-11-27(12-9-16)23-25-10-7-19(26-23)14-21-20(28)15-22(29)30-21;24-18-6-4-16(5-7-18)2-1-3-17-9-12-27(13-10-17)23-25-11-8-19(26-23)14-21-20(28)15-22(29)30-21;1-16-5-6-18(25-15-16)4-2-3-17-8-11-27(12-9-17)23-24-10-7-19(26-23)13-21-20(28)14-22(29)30-21/h1-6,9,12,16,30H,7-8,10-11,13-15H2;6-8,12,15,17-18,22,27H,1-5,9-11,13-14,16H2;4-6,10,14-16H,1-3,7-9,11-13H2,(H,27,29,30);2,5-7,10,13-14,16H,1,3-4,8-9,11-12,15H2;4-8,11,14,17H,1-3,9-10,12-13,15H2;5-7,10,13,15,17H,2-4,8-9,11-12,14H2,1H3/b22-12-;24-15-;21-15-;2*21-14-;21-13-
• InChIKey: VFSIRSRLCDFONQ-SUQPFBHHSA-N
• XLogP: 26.07
• TPSA: 462.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2745.84
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?

The IUPAC name of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 161285943) is (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is Cc1ccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)nc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C5CCCN5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(Cl)c4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cccc(C(F)(F)F)c5n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)CCO5)CC3)n2)S1.

What is the InChIKey of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?

The InChIKey is VFSIRSRLCDFONQ-SUQPFBHHSA-N. The full InChI is InChI=1S/C26H24F3N5O2S.C26H31N5O2S.C24H26N4O3S.C23H24ClN3O2S.C23H24FN3O2S.C23H26N4O2S/c27-26(28,29)20-3-1-2-17-4-5-19(32-24(17)20)15-30-14-16-7-10-34(11-8-16)25-31-9-6-18(33-25)12-22-21(35)13-23(36)37-22;32-23-16-25(33)34-24(23)15-21-8-12-28-26(30-21)31-13-9-18(10-14-31)3-1-4-20-7-6-19(17-29-20)22-5-2-11-27-22;29-22-21(32-24(30)27-22)15-19-6-10-25-23(26-19)28-11-7-16(8-12-28)2-1-3-17-4-5-20-18(14-17)9-13-31-20;24-18-6-2-5-17(13-18)4-1-3-16-8-11-27(12-9-16)23-25-10-7-19(26-23)14-21-20(28)15-22(29)30-21;24-18-6-4-16(5-7-18)2-1-3-17-9-12-27(13-10-17)23-25-11-8-19(26-23)14-21-20(28)15-22(29)30-21;1-16-5-6-18(25-15-16)4-2-3-17-8-11-27(12-9-17)23-24-10-7-19(26-23)13-21-20(28)14-22(29)30-21/h1-6,9,12,16,30H,7-8,10-11,13-15H2;6-8,12,15,17-18,22,27H,1-5,9-11,13-14,16H2;4-6,10,14-16H,1-3,7-9,11-13H2,(H,27,29,30);2,5-7,10,13-14,16H,1,3-4,8-9,11-12,15H2;4-8,11,14,17H,1-3,9-10,12-13,15H2;5-7,10,13,15,17H,2-4,8-9,11-12,14H2,1H3/b22-12-;24-15-;21-15-;2*21-14-;21-13-.

What are the key properties of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?

(5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 2745.84 g/mol, XLogP of 26.07, 37 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 161285943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).